2-chloro-3H-thieno[3,2-d]pyrimidin-4-one

C6H3ClN2OS — CID 135905227

IUPAC2-chloro-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2ccsc12
InChIInChI=1S/C6H3ClN2OS/c7-6-8-3-1-2-11-4(3)5(10)9-6/h1-2H,(H,8,9,10)
InChIKeySLIDFTPKOQIIMW-UHFFFAOYSA-N
MW186.62 g/mol
LogP1.64
Rot. Bonds

About 2-chloro-3H-thieno[3,2-d]pyrimidin-4-one

2-chloro-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135905227) has the molecular formula C6H3ClN2OS and a molecular weight of 186.62 g/mol. Its IUPAC name is 2-chloro-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135905227
Molecular FormulaC6H3ClN2OS
Molecular Weight186.62 g/mol
Exact Mass185.97
IUPAC Name2-chloro-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2ccsc12
InChIInChI=1S/C6H3ClN2OS/c7-6-8-3-1-2-11-4(3)5(10)9-6/h1-2H,(H,8,9,10)
InChIKeySLIDFTPKOQIIMW-UHFFFAOYSA-N
XLogP1.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135417422
2-(chloromethyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135416191
3-Aminothiophene-2-carboxamide
CID 518993
3-(Methylamino)-3,4-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2806117
3-(dimethylamino)thieno[3,2-d]pyrimidin-4(3H)-one
CID 1478283
2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135600413
3-ethyl-2-(propylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 3484012
3-Methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one
CID 118719987
3-Ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729734
3-Ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729735
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl N,N'-dimethylcarbamimidothioate;hydrochloride
CID 135415388
Ethyl 2-[(4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate
CID 135428362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-chloro-3H-thieno[3,2-d]pyrimidin-4-one (CID 135905227) is 2-chloro-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(Cl)nc2ccsc12.
What is the InChIKey of 2-chloro-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SLIDFTPKOQIIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2OS/c7-6-8-3-1-2-11-4(3)5(10)9-6/h1-2H,(H,8,9,10).
What are the key properties of 2-chloro-3H-thieno[3,2-d]pyrimidin-4-one?
2-chloro-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 186.62 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135905227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).